0  B7R0.2  CC[C@H](C)CC(C)=O BB0263047 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.1  CNC[C@H](C)OC BB0220527 [1,0,0,0,0,0|3,0,0]=4
2  B6R0.2  CC(C)CB(O)O BB0272390 [1,0,0,0,0,0|1,0,1]=3
3  B6R0.2  CC(C)NC(N)=O BB0266031 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.2  CN(C)CC(N)=O BB0258818 [1,0,0,0,0,0|2,0,0]=3
5  B8R0.5  CCOC(=O)CC(=O)O BB0265906 [0,1,0,0,0,0|1,0,1]=3
6  B8R0.5  CCOC(=O)CC(=O)[O-] BB0288802 [0,1,0,0,0,0|1,0,2]=4
7  B8R1.1  O=C1C[C@H](CO)CN1 BB0259403 [0,0,0,1,0,0|2,0,0]=3
8  B8R1.1  O=C1N[C@@H](CO)CO1 BB0263376 [0,0,0,1,0,0|2,0,0]=3
9  B8R1.4  CC1CCCC(N)C1 BB0254488 [0,0,0,1,0,0|2,0,1]=4
10  B8R1.4  CN1CCCC(=O)C1 BB0267156 [0,0,0,1,0,0|2,0,0]=3
11  B8R1.4  CN1CCC[C@H](O)C1 BB0267157 [0,0,0,1,0,0|2,0,1]=4
12  B8R1.4  N[C@H]1CCCC(=O)C1 BB0268433 [0,0,0,1,0,0|2,0,0]=3
13  B8R1.31  CN1CC[C@H]1C(=O)O BB0262936 [0,0,0,1,0,0|1,0,0]=2
14  B8R1.34  O=C(O)CC1CCC1 BB0257709 [0,0,0,1,0,0|0,0,0]=1
15  B8R1.51  N[C@H]1CCS(=O)(=O)C1 BB0237347 [0,0,0,1,0,0|2,0,1]=4
16  B8R1.51  O=S1(=O)CC[C@H](O)C1 BB0269943 [0,0,0,1,0,0|2,0,1]=4
17  B6R0.3  CO[C@@H](C)C(N)=O BB0287968 [0,0,0,0,1,0|2,0,0]=3
18  B6R0.3  N[C@@H](CO)C(=O)O BB0282131 [0,0,0,0,1,0|2,0,0]=3
19  B6R0.3  N[C@@H](CS)C(=O)O BB0282130 [0,0,0,0,1,0|2,0,0]=3
20  B8R0.9  COC(=O)CCC(=O)O BB0254379 [0,0,0,0,0,1|2,0,1]=4
21  B5R0.1  CCCC(=N)N BB0263076 [2,0,0,0,0,0|2,0,0]=4
22  B5R0.2  C=CCCCN BB0270548 [2,0,0,0,0,0|2,0,0]=4
23  B5R0.3  CO[C@@H](C)CN BB0220352 [2,0,0,0,0,0|2,0,0]=4
24  B5R0.3  CO[C@@H](C)CN BB0290080 [2,0,0,0,0,0|2,0,0]=4
25  B5R0.3  CO[C@@H](C)CO BB0262966 [2,0,0,0,0,0|1,0,0]=3
26  B7R0.9  CC(C)(C)CC(N)=O BB0292979 [1,1,0,0,0,0|1,0,0]=3
27  B7R0.9  CC(C)(C)NC(N)=O BB0265966 [1,1,0,0,0,0|2,0,0]=4
28  B7R0.6  CC(=O)CCN(C)C BB0237343 [1,1,0,0,0,0|2,0,0]=4
29  B7R0.13  CC(C)(CN)C(N)=O BB0272417 [0,1,0,0,1,0|2,0,0]=4
30  B7R0.15  CC[C@H](OC)C(N)=O BB0288540 [0,1,0,0,1,0|1,0,0]=3
31  B9R0.79  CC(C)[C@H](F)[C@H](N)C(=O)O BB0268279 [0,2,0,0,0,0|1,0,0]=3
32  B9R0.10  CN(CC(=O)O)S(C)(=O)=O BB0240282 [0,2,0,0,0,0|2,0,0]=4
33  B7R1.2  N[C@@H]1CNC(=O)C1 BB0270359 [1,0,0,1,0,0|2,0,0]=4
34  B7R1.3  NC1CCOCC1 BB0268116 [1,0,0,1,0,0|1,0,1]=4
35  B7R1.12  O=C(O)[C@@H]1C[C@@H]1F BB0260288 [1,0,0,1,0,0|1,0,0]=3
36  B7R1.18  N=C(N)C1CCC1 BB0263077 [1,0,0,1,0,0|2,0,0]=4
37  B7R1.18  O=C(O)C1=CCC1 BB0262190 [1,0,0,1,0,0|0,0,2]=4
38  B7R1.18  O=C(O)C1CCC1 BB0269490 [1,0,0,1,0,0|0,0,0]=2
39  B9R1.96  CCN1CC[C@H]1C(=O)O BB0262934 [0,1,0,1,0,0|1,0,0]=3
40  B9R1.13  O=C(O)CN1CCCC1 BB0219133 [0,1,0,1,0,0|1,0,0]=3
41  B9R1.146  C[C@]1(N)CCS(=O)(=O)C1 BB0259373 [0,1,0,1,0,0|1,0,1]=4
42  B5R0.5  CC(C)C(=N)N BB0238637 [1,0,0,0,1,0|2,0,0]=4